(7-chloranyl-1,3-benzodioxol-5-yl)methyl 5-propan-2-yl-1-pyridin-2-yl-pyrazole-4-carboxylate

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 5-propan-2-yl-1-pyridin-2-yl-pyrazole-4-carboxylate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 5-isopropyl-1-(2-pyridyl)pyrazole-4-carboxylate CAS Name: 5-propan-2-yl-1-(2-pyridinyl)-4-pyrazolecarboxylic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxylate Traditional Name: 5-isopropyl-1-(2-pyridyl)pyrazole-4-carboxylic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C20H18ClN3O4 MolecularWeight: 399.82762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=NN1C2=CC=CC=N2)C(=O)OCC3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

CC(C)C1=C(C=NN1C2=CC=CC=N2)C(=O)OCC3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C20H18ClN3O4/c1-12(2)18-14(9-23-24(18)17-5-3-4-6-22-17)20(25)26-10-13-7-15(21)19-16(8-13)27-11-28-19/h3-9,12H,10-11H2,1-2H3